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Information card for entry 4517165
Preview
| Coordinates | 4517165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H40 Cl Fe N O P S |
|---|---|
| Calculated formula | C37 H40 Cl Fe N O P S |
| Title of publication | Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex |
| Authors of publication | Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Pages of publication | 276 |
| a | 9.5205 ± 0.0003 Å |
| b | 13.2892 ± 0.0004 Å |
| c | 14.2405 ± 0.0004 Å |
| α | 76.299 ± 0.003° |
| β | 75.44 ± 0.003° |
| γ | 73.252 ± 0.003° |
| Cell volume | 1643.39 ± 0.09 Å3 |
| Cell temperature | 172.99 ± 0.1 K |
| Ambient diffraction temperature | 172.99 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0809 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1721 |
| Weighted residual factors for all reflections included in the refinement | 0.207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245062 (current) | 2019-12-14 | cif/ Adding structures of 4517165, 4517166, 4517167, 4517168 via cif-deposit CGI script. |
4517165.cif |
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Users of the data should acknowledge the original authors of the
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